Glycoside
GD003968
Name:
NoneFormula:
C20H25O10N10PSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](OP(=O)(O)O[C@H]2[C@@H](CO)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 596.45 | Num_heavy_atoms: | 41 |
| TPSA: | 294.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
